3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-4-chloro-benzoic acid CAS Name: 3-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-4-chlorobenzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-4-chloro-benzoic acid Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)OC

InChI

InChI=1S/C16H13BrClNO4/c1-8-5-10(17)7-11(14(8)23-2)15(20)19-13-6-9(16(21)22)3-4-12(13)18/h3-7H,1-2H3,(H,19,20)(H,21,22)